Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | RARA | P10276 | 3/20 | 0.39 |
| ▸ | RARB | P10826 | 3/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP4 | P49662 | 1/20 | 0.38 |
| ▸ | CASP5 | P51878 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | UBE2N | P61088 | 1/20 | 0.37 |
| ▸ | PRKD1 | Q15139 | 4/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL8537644 | 0.90 | HRH4 (0.43) | KMT2AHRH4HRH3RARARARB | |
| SCHEMBL8511699 | 0.83 | IRAK4 (0.41) | KMT2AADRB1PRKD1PRKD2PRKD3 | |
| SCHEMBL8514909 | 0.81 | CYP1A2 (0.52) | HRH4RARARARBCYP1A2KDM4E | |
| SCHEMBL2014630 | 0.81 | RARA (0.51) | RARARARBALDH1A1KARS1 | |
| SCHEMBL8514715 | 0.81 | RARA (0.46) | KMT2ARARARARBRARG | |
| Hydrochloric Acid SCHEMBL8512697 | 0.81 | CYP1A2 (0.51) | HRH4RARARARBCYP1A2KDM4E | |
| SCHEMBL8514096 | 0.81 | ROCK2 (0.55) | KMT2ARARARARBCYP1A2ROCK2 | |
| Hydrochloric Acid SCHEMBL8515528 | 0.80 | ROCK2 (0.54) | KMT2AADRB1CYP1A2ROCK2ROCK1 | |
| SCHEMBL2013665 | 0.78 | IRAK4 (0.49) | RARARARBROCK2ROCK1ALDH1A1 | |
| SCHEMBL8510098 | 0.78 | IRAK4 (0.36) | ADRB1PRKD1PRKD2PRKD3KARS1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012069852-A1 | PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE | ALMAC DISCOVERY LIMITED (GB) | 2012-05-31 | — | — | WO | disclosed |